SCHEMBL3390175

SCHEMBL3390175

Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 3/20 0.44
CCNK O75909 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
HCRTR1 O43613 11/20 0.41
HCRTR2 O43614 8/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.39
CYP3A4 P08684 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3388537 0.83 CCR6 (0.55) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL13309094 0.76 POLB (0.48) ALDH1A1PKMLMNAGAAHTT
SCHEMBL3390120 0.75 ALDH1A1 (0.42) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL3390111 0.75 ALDH1A1 (0.42) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL3390593 0.75 POLB (0.41) ALDH1A1PKMCYP3A4LMNAGAA
SCHEMBL2790371 0.75 HCRTR1 (0.47) HCRTR1HCRTR2CYP3A4
SCHEMBL3390604 0.75 HCRTR1 (0.47) HCRTR1HCRTR2CYP3A4
SCHEMBL13309233 0.72 HCRTR1 (0.43) HCRTR1HCRTR2CYP3A4
SCHEMBL3390663 0.71 POLB (0.53) ALDH1A1PKMLMNAGAAHTT
SCHEMBL3386500 0.71 POLB (0.50) ALDH1A1PKMLMNAGAAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B CCR6 1784/4885CCNK 1049/4885CCNA2 1530/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.